263397

3,5-Bis(trifluoromethyl)benzyl bromide

97%

• Synonym(s): 1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene
• Linear Formula: (CF₃)₂C₆H₃CH₂Br
• CAS Number: 32247-96-4
• Molecular Weight: 307.03
• Beilstein: 656506
• EC Number: 250-971-1
• MDL number: MFCD00009905
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855968
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.445 (lit.)
• density: 1.675 g/mL at 25 °C (lit.)
• functional group: bromo; fluoro
• SMILES string: FC(F)(F)c1cc(CBr)cc(c1)C(F)(F)F
• InChI: 1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
• InChI key: ATLQGZVLWOURFU-UHFFFAOYSA-N

Description

Application

3,5-Bis(trifluoromethyl)benzyl bromide has been used:

• as derivatization reagent in detection of uracil in DNA by GC and negative chemical ionization mass spectrometry
• in enantioselective synthesis of non-peptidic neurokinin NK1 receptor antagonist, L-733,060

Safety Information

• Pictograms: GHS02,GHS05
• Signal Word: Danger
• Hazard Statements: H226,H314
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 78.8 °F - closed cup
• Flash Point(C): 26 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves